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CHEBI:8616 - psoralidin

ChEBI IDCHEBI:8616
ChEBI Namepsoralidin
Stars
DefinitionA member of the class of coumestans that is coumestan substituted by hydroxy groups at positions 3 and 9 and a prenyl group at position 2 respectively.
Last Modified12 June 2015
DownloadsMolfile
FormulaC20H16O5
Net Charge0
Average Mass336.343
Monoisotopic Mass336.09977
SMILESCC(C)=CCc1cc2c(cc1O)oc(=O)c1c3ccc(O)cc3oc21
InChIInChI=1S/C20H16O5/c1-10(2)3-4-11-7-14-17(9-15(11)22)25-20(23)18-13-6-5-12(21)8-16(13)24-19(14)18/h3,5-9,21-22H,4H2,1-2H3
InChIKeyYABIJLLNNFURIJ-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Cullen corylifolium (ncbitaxon:429560) - PubMed (24507928)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
estrogen receptor agonist  An agonist at the estrogen receptor.
ChEBI Ontology
Outgoing Relation(s)
psoralidin (CHEBI:8616) has functional parent coumestan (CHEBI:72578)
psoralidin (CHEBI:8616) has role estrogen receptor agonist (CHEBI:63951)
psoralidin (CHEBI:8616) has role plant metabolite (CHEBI:76924)
psoralidin (CHEBI:8616) is a coumestans (CHEBI:72577)
psoralidin (CHEBI:8616) is a polyphenol (CHEBI:26195)
psoralidin (CHEBI:8616) is a δ-lactone (CHEBI:18946)
IUPAC Name 
3,9-dihydroxy-2-(3-methylbut-2-en-1-yl)-6H-[1]benzofuro[3,2-c][1]benzopyran-6-one
Synonym  Source
3,9-Dihydroxy-2-prenylcoumestanLIPID MAPS
Manual XrefsDatabases
C10523KEGG COMPOUND
C00002566KNApSAcK
LMPK12090007LIPID MAPS
HMDB0034050HMDB
PsoralidinWikipedia
Registry NumbersSources
Reaxys:320069Reaxys
CAS:18642-23-4KEGG COMPOUND
CAS:18642-23-4ChemIDplus
Citations